1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one

C18H17Cl2NO — CID 11056722

IUPAC1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one
SMILESCCN(CC)C1c2cccc(Cl)c2C(=O)c2cccc(Cl)c21
InChIInChI=1S/C18H17Cl2NO/c1-3-21(4-2)17-11-7-5-10-14(20)16(11)18(22)12-8-6-9-13(19)15(12)17/h5-10,17H,3-4H2,1-2H3
InChIKeyDKXQGYAUOLBGHX-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.97
Rot. Bonds3

About 1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one

1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one (PubChem CID 11056722) has the molecular formula C18H17Cl2NO and a molecular weight of 334.25 g/mol. Its IUPAC name is 1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one.

Molecular Properties

Compound Name1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one
PubChem CID11056722
Molecular FormulaC18H17Cl2NO
Molecular Weight334.25 g/mol
Exact Mass333.07
IUPAC Name1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one
SMILESCCN(CC)C1c2cccc(Cl)c2C(=O)c2cccc(Cl)c21
InChIInChI=1S/C18H17Cl2NO/c1-3-21(4-2)17-11-7-5-10-14(20)16(11)18(22)12-8-6-9-13(19)15(12)17/h5-10,17H,3-4H2,1-2H3
InChIKeyDKXQGYAUOLBGHX-UHFFFAOYSA-N
XLogP4.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one?
The IUPAC name of 1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one (CID 11056722) is 1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one.
What is the SMILES notation for 1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one?
The canonical SMILES for 1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one is CCN(CC)C1c2cccc(Cl)c2C(=O)c2cccc(Cl)c21.
What is the InChIKey of 1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one?
The InChIKey is DKXQGYAUOLBGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO/c1-3-21(4-2)17-11-7-5-10-14(20)16(11)18(22)12-8-6-9-13(19)15(12)17/h5-10,17H,3-4H2,1-2H3.
What are the key properties of 1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one?
1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one has a molecular weight of 334.25 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-10-(diethylamino)-10H-anthracen-9-one is sourced from PubChem (CID 11056722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).